1,2-dimethylcyclobutane;pentane

C11H24 — CID 142846915

IUPAC1,2-dimethylcyclobutane;pentane
SMILESCC1CCC1C.CCCCC
InChIInChI=1S/C6H12.C5H12/c1-5-3-4-6(5)2;1-3-5-4-2/h5-6H,3-4H2,1-2H3;3-5H2,1-2H3
InChIKeyPJQRYGVUVXPAFN-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds2

About 1,2-dimethylcyclobutane;pentane

1,2-dimethylcyclobutane;pentane (PubChem CID 142846915) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 1,2-dimethylcyclobutane;pentane.

Molecular Properties

Compound Name1,2-dimethylcyclobutane;pentane
PubChem CID142846915
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name1,2-dimethylcyclobutane;pentane
SMILESCC1CCC1C.CCCCC
InChIInChI=1S/C6H12.C5H12/c1-5-3-4-6(5)2;1-3-5-4-2/h5-6H,3-4H2,1-2H3;3-5H2,1-2H3
InChIKeyPJQRYGVUVXPAFN-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
ethene;pentane
CID 54525676
butane;1,2-dimethylcyclobutane;ethane;3-methylheptane;propane
CID 142019945
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
ethene;pentane;propane
CID 145405688
2-butyl-3,6-dimethylcyclohexan-1-ol
CID 58534485
1,4-dipropylcyclohexane;pentane
CID 90867354
CID 159411255
CID 159411255
alumane;pentane
CID 173125985
pentane;propane
CID 91422342
hexadecakis(pentane);dihydrate
CID 173099119

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclobutane;pentane?
The IUPAC name of 1,2-dimethylcyclobutane;pentane (CID 142846915) is 1,2-dimethylcyclobutane;pentane.
What is the SMILES notation for 1,2-dimethylcyclobutane;pentane?
The canonical SMILES for 1,2-dimethylcyclobutane;pentane is CC1CCC1C.CCCCC.
What is the InChIKey of 1,2-dimethylcyclobutane;pentane?
The InChIKey is PJQRYGVUVXPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H12/c1-5-3-4-6(5)2;1-3-5-4-2/h5-6H,3-4H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 1,2-dimethylcyclobutane;pentane?
1,2-dimethylcyclobutane;pentane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclobutane;pentane is sourced from PubChem (CID 142846915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).